9WVT

Crystal structure of HrmI in complex with the diferrous iron and N(6)-hydroxy-L-lysine

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	BRUKER D8 QUEST
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-05-30
Detector	Bruker PHOTON II
Wavelength(s)	1.542
Spacegroup name	P 32 2 1
Unit cell lengths	112.724, 112.724, 68.446
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.770 - 2.050
R-factor	0.15845
Rwork	0.156
R-free	0.20221
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.892
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.770	2.090
High resolution limit [Å]	2.050	2.050
Rmerge	0.083	0.399
Rmeas	0.094	0.470
Rpim	0.044	0.244
Number of reflections	31608	1545
<I/σ(I)>	5.4	11.6
Completeness [%]	99.3
Redundancy	4.3	3.6
CC(1/2)	0.994	0.818

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	HEPES, potassium sodium tartrate