6BAL

2.1 Angstrom Resolution Crystal Structure of Malate Dehydrogenase from Haemophilus influenzae in Complex with L-Malate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2017-04-20
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 1
Unit cell lengths	74.108, 78.079, 114.029
Unit cell angles	71.09, 75.44, 68.06

Refinement procedure

Resolution	29.750 - 2.100
R-factor	0.17202
Rwork	0.170
R-free	0.21869
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hhp
RMSD bond length	0.008
RMSD bond angle	1.359
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	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.093	0.662
Rmeas	0.108	0.770
Rpim	0.054	0.392
Number of reflections	126522	6257
<I/σ(I)>	13.4	2.1
Completeness [%]	98.2	97.2
Redundancy	4	3.9
CC(1/2)		0.665

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	Protein: 20.0 mg/ml, 0.3M Sodium chloride, 0.01M HEPES pH 7.5; Screen: 0.2M Ammonium formate, 20% (w/v) PEG3350, 0.25mM DL-Malic acid; Cryo: paratone.