6AOO

2.15 Angstrom Resolution Crystal Structure of Malate Dehydrogenase from Haemophilus influenzae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-23
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.07822
Spacegroup name	C 1 2 1
Unit cell lengths	107.688, 94.119, 73.215
Unit cell angles	90.00, 121.70, 90.00

Refinement procedure

Resolution	29.680 - 2.150
R-factor	0.18516
Rwork	0.182
R-free	0.23732
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hhp
RMSD bond length	0.009
RMSD bond angle	1.429
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.190
High resolution limit [Å]	2.150	2.150
Rmerge	0.122	0.749
Rpim	0.039	0.229
Number of reflections	33055	1664
<I/σ(I)>	18.5	4.3
Completeness [%]	97.5	99.3
Redundancy	10.9	11.4
CC(1/2)		0.876

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	20.0 mg/mL protein in 0.3 M sodium chloride, 0.01 M HEPES, pH 7.5, screen: 0.1 M lithium sulfate, 0.1 M ammonium sulfate, 0.1 M HEPES, pH 7.5, 20% w/v PEG3350, 0.25 mM D-Malic acid, cryoprotectant: paratone