7CEZ

An x-ray structure of G5K/Q8K/A19K/V21K Mb mutant with a positive charge

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-01-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	39.372, 60.938, 63.897
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.470 - 1.570
R-factor	0.1663
Rwork	0.164
R-free	0.20680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6krc
RMSD bond length	0.018
RMSD bond angle	3.166
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	PHENIX (1.18.1_3865)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.600
High resolution limit [Å]	1.570	1.570
Rmerge	0.077	0.480
Rpim	0.032	0.188
Number of reflections	22117	1027
<I/σ(I)>	23.3	4.5
Completeness [%]	99.7	94.6
Redundancy	9.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20% PEG 8000, 0.2 M magnesium chloride,0.1 M sodium cacodylate