7VQG

The X-ray structure of human neuroglobin A15C mutant

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	2021-09-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9791
Spacegroup name	P 2 21 21
Unit cell lengths	39.093, 40.561, 84.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.580 - 1.350
R-factor	0.1454
Rwork	0.144
R-free	0.17200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1oj6
RMSD bond length	0.018
RMSD bond angle	1.675
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]	36.580	1.400
High resolution limit [Å]	1.350	1.350
Rmerge	0.039	0.304
Rpim	0.012	0.151
Number of reflections	60134	5676
<I/σ(I)>	37.83	10.86
Completeness [%]	99.7	96.57
Redundancy	12.4
CC(1/2)	0.999	0.994

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	10% v/v 1,4-Dioxane, 0.1 M MES monohydrate pH 6.5, 1.6 M Ammonium sulfate